Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69921
- Core Entity Id
- 132570
- Source Entity Count
- 1
- Preferred Name
- alisol P
- Name En
- Pubchem Id
- 122194875
- Smiles Canonical
- CC(CC(C(C(C)(C)O)O)O)C1=C2CC3C4C(C2(CC1)C)(CCC(C4(CC(=O)O3)C)C(C)(C)C(=O)O)C
- Molecular Formula
- C28H44O7
- Molecular Weight
- 492.3100
- Inchikey
- KKXUNIAWSGXCIU-BFUVOVAVSA-N
- Inchi
- InChI=1S/C30H48O7/c1-16(13-19(31)24(33)27(4,5)36)17-9-11-29(7)18(17)14-20-23-28(6,15-22(32)37-20)21(10-12-30(23,29)8)26(2,3)25(34)35/h16,19-21,23-24,31,33,36H,9-15H2,1-8H3,(H,34,35)/t16-,19+,20+,21+,23+,24-,28+,29+,30+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.8000
- Num H Donors
- 4
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 124.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
alisol P
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
alisol P
Itcmdb Generated
ITX-INGREDIENT-3E5B176CB214
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
492.310
Molecular Formula
C28H44O7
Fda Maximum Daily Dose (Fdamdd)
0.627
Quantitative Estimate Of Drug Likeness（Qed）
0.316